People

Founders

At the time, both worked at CTCC, University of Oslo. The specific
ideas and mathematical derivations leading to London grew out of
discussions between Erik Tellgren and Alessandro Soncini about
crystalline materials subject to finite magnetic fields. The focus
changed during the course of the theoretical work to molecules in
finite magnetic fields. These themes coincided with research
interests of Trygve Helgaker. The programming for the first version of
London, consisting of an integral-evaluation library for hybrid
basis sets and functionality for Hartree-Fock wave function
optimization, was done by Erik Tellgren. The program was written
from scratch as a completely self-contained C++ program, save for
the reliance on the lapack library for basic linear algebra
functionality. The name 'London' was chosen in honor of the
physicist Fritz
London, after whom London orbitals are also named.

Citation policy

All relevant journal articles describing
implemented functionality in London should be cited. For example, the
first article [JCP 129:154114] describes the implementation of the
integral-evaluation library. As London relies on the XCFun package by U. Ekström for
implementations of specific DFT functionals, this package should be
cited when relevant. Additionally, the program itself can be cited as: